4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine

C18H17ClN2S2 — CID 122183985

IUPAC4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCCCSc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C18H17ClN2S2/c1-2-9-22-16-8-4-7-15(11-16)20-18-21-17(12-23-18)13-5-3-6-14(19)10-13/h3-8,10-12H,2,9H2,1H3,(H,20,21)
InChIKeyQZYQVNXBDBRKOR-UHFFFAOYSA-N
MW360.94 g/mol
LogP6.71
Rot. Bonds6

About 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine

4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 122183985) has the molecular formula C18H17ClN2S2 and a molecular weight of 360.94 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID122183985
Molecular FormulaC18H17ClN2S2
Molecular Weight360.94 g/mol
Exact Mass360.05
IUPAC Name4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCCCSc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C18H17ClN2S2/c1-2-9-22-16-8-4-7-15(11-16)20-18-21-17(12-23-18)13-5-3-6-14(19)10-13/h3-8,10-12H,2,9H2,1H3,(H,20,21)
InChIKeyQZYQVNXBDBRKOR-UHFFFAOYSA-N
XLogP6.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.94
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
CID 3366110
N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 58910606
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214677
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]heptanamide
CID 3553749
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544339
4-chloro-N-(3-propylsulfanylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 86658167
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine (CID 122183985) is 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine is CCCSc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QZYQVNXBDBRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S2/c1-2-9-22-16-8-4-7-15(11-16)20-18-21-17(12-23-18)13-5-3-6-14(19)10-13/h3-8,10-12H,2,9H2,1H3,(H,20,21).
What are the key properties of 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine?
4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 360.94 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122183985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).